Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04176"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| owl:sameAs | |
| rdfs:label |
"Phosporic Acid Mono-[3,4-Dihydroxy-5-(5-Methoxy-Benzoimidazol-1-Yl)-Tetrahydro-Furan-2-Ylmethyl] Ester"
|
| drugbank:description |
"
experimental
This compound belongs to the benzimidazole nucleosides and nucleotides. These are nucleoside or nucleotide analogues in which the imidazole moiety of benzimidazole is linked to a ribose (or ribose derivative).
Benzimidazole Nucleosides and Nucleotides
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Benzimidazoles
Anisoles
Alkyl Aryl Ethers
Organic Phosphoric Acids
Organophosphate Esters
N-substituted Imidazoles
Tetrahydrofurans
Oxolanes
Secondary Alcohols
1,2-Diols
Polyamines
benzimidazole
phenol ether
anisole
alkyl aryl ether
organic phosphate
benzene
phosphoric acid ester
n-substituted imidazole
tetrahydrofuran
azole
oxolane
imidazole
1,2-diol
secondary alcohol
polyamine
ether
amine
organonitrogen compound
alcohol
logP
-0.69
ALOGPS
logS
-2.3
ALOGPS
Water Solubility
1.90e+00 g/l
ALOGPS
logP
-2.6
ChemAxon
IUPAC Name
{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(5-methoxy-1H-1,3-benzodiazol-1-yl)oxolan-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2S,3R,4R,5R)-3,4-dihydroxy-5-(5-methoxy-1,3-benzodiazol-1-yl)oxolan-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
360.2564
ChemAxon
Monoisotopic Weight
360.072252042
ChemAxon
SMILES
COC1=CC=C2N(C=NC2=C1)[C@@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]1O
ChemAxon
Molecular Formula
C13H17N2O8P
ChemAxon
InChI
InChI=1S/C13H17N2O8P/c1-21-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(23-13)5-22-24(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12+,13+/m0/s1
ChemAxon
InChIKey
InChIKey=VYUPJUKSTVHSQI-WUHRBBMRSA-N
ChemAxon
Polar Surface Area (PSA)
143.5
ChemAxon
Refractivity
78.9
ChemAxon
Polarizability
32.62
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
8
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
1.22
ChemAxon
pKa (strongest basic)
5.68
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936911
PubChem Substance
46506074
PDB
PMO
BE0001229
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
unknown
Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
Coenzyme transport and metabolism
Catalyzes the synthesis of alpha-ribazole-5'-phosphate from nicotinate mononucleotide (NAMN) and 5,6- dimethylbenzimidazole (DMB)
cobT
None
6.3
36613.0
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
GenBank Gene Database
L35477
GenBank Protein Database
535767
UniProtKB
Q05603
UniProt Accession
COBT_SALTY
EC 2.4.2.21
N(1)-alpha-phosphoribosyltransferase
NN:DBI PRT
>Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
MQTLHALLRDIPAPDAEAMARAQQHIDGLLKPPGSLGRLETLAVQLAGMPGLNGTPQVGE
KAVLVMCADHGVWDEGVAVSPKIVTAIQAANMTRGTTGVCVLAAQAGAKVHVIDVGIDAE
PIPGVVNMRVARGCGNIAVGPAMSRLQAEALLLEVSRYTCDLAQRGVTLFGVGELGMANT
TPAAAMVSVFTGSDAKEVVGIGANLPPSRIDNKVDVVRRAIAINQPNPRDGIDVLSKVGG
FDLVGMTGVMLGAARCGLPVLLDGFLSYSAALAACQIAPAVRPYLIPSHFSAEKGARIAL
AHLSMEPYLHMAMRLGEGSGAALAMPIVEAACAMFHNMGELAASNIVLPEGNANAT
>1101 bp
ATGAGCCGATTATTACGGACGAGACATCTTATGCAGACACTACACGCTTTACTCCGTGAC
ATTCCTGCGCCGGACGCCGAGGCGATGGCGCGTACGCAGCAACATATTGACGGCCTGCTC
AAACCGCCGGGCAGCCTGGGCAGACTGGAAACCTTAGCCGTTCAGCTCGCGGGTATGCCG
GGTCTTAACGGTACGCCGCAGGTAGGTGAAAAGGCGGTGCTGGTGATGTGCGCCGACCAT
GGCGTCTGGGATGAAGGCGTAGCGGTTTCGCCCAAAATCGTGACGGCGATTCAGGCGGCG
AATATGACGCGGGGAACAACCGGCGTATGCGTGCTTGCCGCTCAGGCCGGTGCGAAGGTG
CATGTCATTGATGTCGGTATTGATGCCGAACCTATTCCTGGCGTAGTTAATATGCGCGTC
GCGCGCGGCTGCGGAAATATTGCCGTTGGCCCGGCGATGAGTCGCTTGCAGGCTGAGGCG
CTTTTACTGGAGGTTTCCCGCTGCGCCTGCGACCTGGCGCAACGCGGCGTGACCTTATTT
GGCGTAGGGGAACTGGGAATGGCGAACACTACGCCAGCCGCCGCGATGGTCAGCGTTTTT
ACAGGAAGTGATGCAAAAGAGGTGGTGGGGATTGGCGCGAATCTTCCGCCTTCCCGCATC
GATAATAAAGTGGACGTCGTGCGGCGGGCGATTGCGATTAATCAGCCCAATCCGCGCGAC
GGCATTGATGTGTTGTCGAAGGTGGGTGGTTTTGATCTGGTCGGGATGACCGGCGTGATG
CTTGGCGCGGCAAGGTGTGGCTTACCCGTATTGCTGGATGGCTTTCTTTCCTACTCGGCA
GCGCTGGCGGCCTGTCAGATTGCGCCTGCGGTGAGACCTTATCTGATCCCGTCGCACTTT
TCGGCGGAAAAGGGCGCCCGCATCGCGCTCGCGCATTTGTCTATGGAACCCTATTTGCAT
ATGGCGATGCGGTTAGGTGAAGGAAGCGGCGCGGCGCTGGCGATGCCGATCGTGGAAGCC
GCGTGCGCCATGTTCCACAACATGGGGGAGTTGGCGGCCAGTAATATTGTCCTGCCGGAG
GGGAACGCAAACGCAACATAA
PF02277
DBI_PRT
function
transferase activity
function
transferase activity, transferring glycosyl groups
function
transferase activity, transferring pentosyl groups
function
nicotinate-nucleotide-dimethylbenzimidazole phosphoribosyltransferase activity
function
catalytic activity
process
metabolism
process
cellular metabolism
process
heterocycle metabolism
process
porphyrin metabolism
process
porphyrin biosynthesis
process
physiological process
process
cobalamin biosynthesis
"
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All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object